N-[(2-chloro-4-methylphenyl)methyl]-1-(1-methylpiperidin-2-yl)methanamine

C15H23ClN2 — CID 106862534

IUPACN-[(2-chloro-4-methylphenyl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
SMILESCc1ccc(CNCC2CCCCN2C)c(Cl)c1
InChIInChI=1S/C15H23ClN2/c1-12-6-7-13(15(16)9-12)10-17-11-14-5-3-4-8-18(14)2/h6-7,9,14,17H,3-5,8,10-11H2,1-2H3
InChIKeyQITBPYZQRRWITC-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.22
Rot. Bonds4

About N-[(2-chloro-4-methylphenyl)methyl]-1-(1-methylpiperidin-2-yl)methanamine

N-[(2-chloro-4-methylphenyl)methyl]-1-(1-methylpiperidin-2-yl)methanamine (PubChem CID 106862534) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is N-[(2-chloro-4-methylphenyl)methyl]-1-(1-methylpiperidin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2-chloro-4-methylphenyl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
PubChem CID106862534
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC NameN-[(2-chloro-4-methylphenyl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
SMILESCc1ccc(CNCC2CCCCN2C)c(Cl)c1
InChIInChI=1S/C15H23ClN2/c1-12-6-7-13(15(16)9-12)10-17-11-14-5-3-4-8-18(14)2/h6-7,9,14,17H,3-5,8,10-11H2,1-2H3
InChIKeyQITBPYZQRRWITC-UHFFFAOYSA-N
XLogP3.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chloro-2-methylphenyl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 114075414
N-[(2-bromo-4-methylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103844959
N-[(2-methoxy-5-methylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 113227161
3-chloro-N'-hydroxy-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]benzenecarboximidamide
CID 106019409
N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 114138263
N-[(3-methylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine;hydrochloride
CID 115593277
2-(chloromethyl)-1-[(2-chloro-4-methylphenyl)methyl]azepane
CID 106869918
4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]benzene-1,2,3-triol
CID 113357812
N-[(2-chloro-4-methylphenyl)methyl]-2-cyclopentyloxyethanamine
CID 106862669
2-(2-bromoethyl)-1-[(2-chloro-4-methylphenyl)methyl]piperidine
CID 106869853
N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine
CID 106862588
N-[(5-methyl-2-pyridinyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 115698907

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methylphenyl)methyl]-1-(1-methylpiperidin-2-yl)methanamine?
The IUPAC name of N-[(2-chloro-4-methylphenyl)methyl]-1-(1-methylpiperidin-2-yl)methanamine (CID 106862534) is N-[(2-chloro-4-methylphenyl)methyl]-1-(1-methylpiperidin-2-yl)methanamine.
What is the SMILES notation for N-[(2-chloro-4-methylphenyl)methyl]-1-(1-methylpiperidin-2-yl)methanamine?
The canonical SMILES for N-[(2-chloro-4-methylphenyl)methyl]-1-(1-methylpiperidin-2-yl)methanamine is Cc1ccc(CNCC2CCCCN2C)c(Cl)c1.
What is the InChIKey of N-[(2-chloro-4-methylphenyl)methyl]-1-(1-methylpiperidin-2-yl)methanamine?
The InChIKey is QITBPYZQRRWITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-12-6-7-13(15(16)9-12)10-17-11-14-5-3-4-8-18(14)2/h6-7,9,14,17H,3-5,8,10-11H2,1-2H3.
What are the key properties of N-[(2-chloro-4-methylphenyl)methyl]-1-(1-methylpiperidin-2-yl)methanamine?
N-[(2-chloro-4-methylphenyl)methyl]-1-(1-methylpiperidin-2-yl)methanamine has a molecular weight of 266.82 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-methylphenyl)methyl]-1-(1-methylpiperidin-2-yl)methanamine is sourced from PubChem (CID 106862534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).